Sfoglia per Chimica e Geologia
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes
2016 Bistoni, Giovanni; Rampino, Sergio; Scafuri, Nicola; Ciancaleoni, Gianluca; Zuccaccia, Daniele; Belpassi, Leonardo; Tarantelli, Francesco
HYBRID DESCRIPTION OF SOLVENT EFFECTS IN AB INITIO CALCULATIONS
2004 M., Cossi; N., Rega; R., Improta; O., Crescenzi; Barone, Vincenzo
Hybrid nano-architectures loaded with metal complexes for the co-chemotherapy of head and neck carcinomas
2022 Santi, M.; Frusca, V.; Ermini, M. L.; Mapanao, A. K.; Sarogni, P.; Gonnelli, A.; Giannini, N.; Zamborlin, Agata; Biancalana, L.; Marchetti, F.; Voliani, Valerio
Hybrid Potential Simulation of the Acylation of Enterococcus faecium l, d -Transpeptidase by Carbapenems
2016 Bhattacharjee, Nicholus; Field, Martin J.; Simorre, Jean-Pierre; Arthur, Michel; Bougault, Catherine M.
HYBRIDIZATION AND SURFACE RELAXATION IN DIAMOND-LIKE CRYSTALS
1983 Barone, Vincenzo; Delre, G.
Hydrated forms of fluoroacetic acid: A rotational study
2016 Feng, Gang; Gou, Qian; Evangelisti, Luca; Spada, Lorenzo; Blanco, Susana; Caminati, Walther
Hydration of diazoles in water solution: pyrazole. A theoretical and X-ray diffraction study.
2010 Ramondo, F; Tanzi, L; Campetella, M; Gontrani, L; Mancini, Giordano; Pieretti, A; Sadun, C.
Hydration properties of the Zn2+ ion in water at high pressure
2013 Migliorati, Valentina; Mancini, Giordano; Tatoli, Simone; Zitolo, Andrea; Filipponi, Adriano; De Panfilis, Simone; Di Cicco, Andrea; D'Angelo, Paola
Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces
2019 Zanetti-Polzi, L.; Biswas, A. D.; Del Galdo, S.; Barone, V.; Daidone, I.
Hydration-controlled anisotropic and giant permittivity in TEG-functionalized eumelanin
2017 Ambrico, M.; Ambrico P., F.; Ligonzo, T.; Cardone, A.; Bridelli M., G.; Casamassima, G.; Manini, Paola; D'Ischia, Marco
Hydrodynamic Modeling of Diffusion Tensor Properties of Flexible Molecules
2009 Barone, Vincenzo; M., Zerbetto; A., Polimeno
Hydrogen and higher shell contributions in Zn2+, Ni2+, and Co2+ aqueous solution: an X-ray absorption fine structure and molecular dynamics study
2002 P., D’Angelo; Barone, Vincenzo; G., Chillemi; N., Sanna; W., Meyer Klaucke; N. V., Pavel
Hydrogen bond effects on the structure and magnetic properties of nitroxide free radicals
2005 P., Cimino; Barone, Vincenzo
Hydrogen-bonding between the hydrogen peroxide molecule and the hydroperoxy radical (H2O2-HO2): the global minimum
2004 M. E., Alikhani; Barone, Vincenzo
Hyperfine coupling constants of dimethyl nitroxide in aqueous solution: Car-Parrinello molecular dynamics and discrete-continuum approaches
2004 M., Pavone; C., Benzi; F., DE ANGELIS; Barone, Vincenzo
Hyperfine resolved rate coefficients of HC17O+ with H2 (j = 0)
2022 Tonolo, Francesca; Lique, F.; Melosso, Mattia; Puzzarini, Cristina; Bizzocchi, Luca
Identification by Time-resolved EPR and Pulsed ENDOR of Chlorophyll Carotenoid Pairs involved in Triplet-Triplet Transfet in photosynthetic Antenna Proteins
2007 M., Di Valentin; S., Ceola; E., Salvadori; G., Agostini; O., Crescenzi; Barone, Vincenzo; G. M., Giacometti; D., Carbonera
Identification of a short region on chromosome 6 affecting direct calving ease in Piedmontese cattle breed
2012 Bongiorni, Silvia; Mancini, Giordano; Chillemi, Giovanni; Pariset, Lorraine; Valentini, Alessio
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data
2016 Salvadori, Andrea; DEL FRATE, Gianluca; Marco, Pagliai; Barone, Vincenzo; Mancini, Giordano
Impact of temporal resolution in single particle tracking analysis
2024 SCHIRRIPA SPAGNOLO, Chiara; Luin, Stefano
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